methyl (2S)-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2S)-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-[2-(4-phenylpiperazin-1-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2S)-4-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[2-(4-phenylpiperazin-1-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2S)-4-[2-(4-phenylpiperazino)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCS1)C(=O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3S/c1-24-18(23)16-13-21(11-12-25-16)17(22)14-19-7-9-20(10-8-19)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m0/s1